Methotrexate diethyl ester
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Methotrexate diethyl ester
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CAS No:
43170-88-3
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Formula:
C24H30N8O5
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Chemical Name:
Methotrexate diethyl ester
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Synonyms:
L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-,1,5-diethyl ester;L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-,diethyl ester;Methotrexate diethyl ester;Diethyl methotrexate;43111-52-0
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CAS No:
Safety Information
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:510.5
XLogP3:1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:13
Exact Mass:510.23391609
Monoisotopic Mass:510.23391609
Topological Polar Surface Area:189
Heavy Atom Count:37
Complexity:765
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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